SCHEMBL20032490

SCHEMBL20032490

CCC(CC)c1ccc(Cl)cc1-n1ncc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.40
CYP11B2 P19099 3/20 0.36
CYP11B1 P15538 2/20 0.36
KMO O15229 5/20 0.36
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
KCNH2 Q12809 2/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALOX12 P18054 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMO Q99835 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16574155 0.78 TP53 (0.43) PDE10ACYP11B2CYP11B1SMN1; SMN2ALDH1A1
SCHEMBL20032453 0.72 FGFR1 (0.50) CYP11B2CYP11B1SMN1; SMN2ALDH1A1LMNA
SCHEMBL23840290 0.68 PDE10A (0.45) PDE10ACYP11B2CYP11B1KMORECQL
SCHEMBL29496843 0.68 NPC1 (0.61) PDE10ACYP11B2CYP11B1RECQLSMN1; SMN2
SCHEMBL30032844 0.67 HPGD (0.54) CYP11B2CYP11B1SMN1; SMN2ALDH1A1LMNA
SCHEMBL5335838 0.66 HDAC8 (0.42) PDE10ACYP11B2CYP11B1KMORECQL
SCHEMBL20628028 0.65 SMO (0.32) CYP11B2CYP11B1SMO
SCHEMBL20032439 0.65 KDM4E (0.44) ALDH1A1KCNH2RAB9A
SCHEMBL2546320 0.65 TSHR (0.46) PDE10ACYP11B2CYP11B1RECQLSMN1; SMN2
SCHEMBL14688369 0.65 CYP11B1 (0.40) PDE10ACYP11B2CYP11B1KMORECQL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES, GmbH (CH) 2020-05-26 US disclosed
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2019-09-19 US disclosed
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2018-04-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A PDE10A 3809/4885CYP11B2 105/4885CYP11B1 54/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A PDE10A 3809/4885CYP11B2 105/4885CYP11B1 54/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A PDE10A 3809/4885CYP11B2 105/4885CYP11B1 54/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.